CID 3049426

Brn 0666023

Structural Information

Molecular Formula
C11H8Br2N4
SMILES
CCC1=C(C(=CC(=C1)Br)Br)NN=C(C#N)C#N
InChI
InChI=1S/C11H8Br2N4/c1-2-7-3-8(12)4-10(13)11(7)17-16-9(5-14)6-15/h3-4,17H,2H2,1H3
InChIKey
PGZSKFIYUFFHJH-UHFFFAOYSA-N
Compound name
2-[(2,4-dibromo-6-ethylphenyl)hydrazinylidene]propanedinitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.91156 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.91884 145.3
[M+Na]+ 376.90078 156.1
[M-H]- 352.90428 147.3
[M+NH4]+ 371.94538 156.2
[M+K]+ 392.87472 142.6
[M+H-H2O]+ 336.90882 139.6
[M+HCOO]- 398.90976 160.4
[M+CH3COO]- 412.92541 235.9
[M+Na-2H]- 374.88623 148.5
[M]+ 353.91101 160.3
[M]- 353.91211 160.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.